5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide

C126H110ClN21O20S5 — CID 136659536

IUPAC5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide
SMILESCCC(=O)Nc1cc(/N=N/c2ccc(C#N)c(C#N)c2)c2c(Cc3cccc(S(=O)(=O)Nc4cc(C)c(C)cc4O)c3)cccc2c1O.CCC(=O)Nc1cc(/N=N/c2ccc(C#N)c(C#N)c2)c2c(Cc3cccc(S(=O)(=O)Nc4ccc(N5CCOCC5)c(S(=O)(=O)Nc5cc(C)c(C)cc5O)c4)c3)cccc2c1O.Cc1cc(O)c(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccc(Cc4cccc5c(O)c(C)cc(/N=N/c6cc(C#N)c(C#N)cc6Cl)c45)c3)ccc2N2CCOCC2)cc1C
InChIInChI=1S/C46H42N8O8S2.C44H38ClN7O7S2.C36H30N6O5S/c1-4-44(56)49-40-25-39(51-50-34-12-11-32(26-47)33(23-34)27-48)45-31(8-6-10-37(45)46(40)57)21-30-7-5-9-36(22-30)63(58,59)52-35-13-14-41(54-15-17-62-18-16-54)43(24-35)64(60,61)53-38-19-28(2)29(3)20-42(38)55;1-26-16-38(41(53)18-27(26)2)51-61(57,58)42-23-33(10-11-40(42)52-12-14-59-15-13-52)50-60(55,56)34-8-4-6-29(20-34)19-30-7-5-9-35-43(30)39(17-28(3)44(35)54)49-48-37-22-32(25-47)31(24-46)21-36(37)45;1-4-34(44)39-32-18-31(41-40-27-12-11-25(19-37)26(17-27)20-38)35-24(8-6-10-29(35)36(32)45)15-23-7-5-9-28(16-23)48(46,47)42-30-13-21(2)22(3)14-33(30)43/h5-14,19-20,22-25,52-53,55,57H,4,15-18,21H2,1-3H3,(H,49,56);4-11,16-18,20-23,50-51,53-54H,12-15,19H2,1-3H3;5-14,16-18,42-43,45H,4,15H2,1-3H3,(H,39,44)/b51-50+;49-48+;41-40+
InChIKeyDRYHIYXGAMNOFR-UBFOBPAOSA-N
MW2434.18 g/mol
LogP25.19
Rot. Bonds33

About 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide

5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide (PubChem CID 136659536) has the molecular formula C126H110ClN21O20S5 and a molecular weight of 2434.18 g/mol. Its IUPAC name is 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide.

Molecular Properties

Compound Name5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide
PubChem CID136659536
Molecular FormulaC126H110ClN21O20S5
Molecular Weight2434.18 g/mol
Exact Mass2431.65
IUPAC Name5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide
SMILESCCC(=O)Nc1cc(/N=N/c2ccc(C#N)c(C#N)c2)c2c(Cc3cccc(S(=O)(=O)Nc4cc(C)c(C)cc4O)c3)cccc2c1O.CCC(=O)Nc1cc(/N=N/c2ccc(C#N)c(C#N)c2)c2c(Cc3cccc(S(=O)(=O)Nc4ccc(N5CCOCC5)c(S(=O)(=O)Nc5cc(C)c(C)cc5O)c4)c3)cccc2c1O.Cc1cc(O)c(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccc(Cc4cccc5c(O)c(C)cc(/N=N/c6cc(C#N)c(C#N)cc6Cl)c45)c3)ccc2N2CCOCC2)cc1C
InChIInChI=1S/C46H42N8O8S2.C44H38ClN7O7S2.C36H30N6O5S/c1-4-44(56)49-40-25-39(51-50-34-12-11-32(26-47)33(23-34)27-48)45-31(8-6-10-37(45)46(40)57)21-30-7-5-9-36(22-30)63(58,59)52-35-13-14-41(54-15-17-62-18-16-54)43(24-35)64(60,61)53-38-19-28(2)29(3)20-42(38)55;1-26-16-38(41(53)18-27(26)2)51-61(57,58)42-23-33(10-11-40(42)52-12-14-59-15-13-52)50-60(55,56)34-8-4-6-29(20-34)19-30-7-5-9-35-43(30)39(17-28(3)44(35)54)49-48-37-22-32(25-47)31(24-46)21-36(37)45;1-4-34(44)39-32-18-31(41-40-27-12-11-25(19-37)26(17-27)20-38)35-24(8-6-10-29(35)36(32)45)15-23-7-5-9-28(16-23)48(46,47)42-30-13-21(2)22(3)14-33(30)43/h5-14,19-20,22-25,52-53,55,57H,4,15-18,21H2,1-3H3,(H,49,56);4-11,16-18,20-23,50-51,53-54H,12-15,19H2,1-3H3;5-14,16-18,42-43,45H,4,15H2,1-3H3,(H,39,44)/b51-50+;49-48+;41-40+
InChIKeyDRYHIYXGAMNOFR-UBFOBPAOSA-N
XLogP25.19
TPSA652.27 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002434.18
LogP ≤ 525.19
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide?
The IUPAC name of 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide (CID 136659536) is 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide.
What is the SMILES notation for 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide?
The canonical SMILES for 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide is CCC(=O)Nc1cc(/N=N/c2ccc(C#N)c(C#N)c2)c2c(Cc3cccc(S(=O)(=O)Nc4cc(C)c(C)cc4O)c3)cccc2c1O.CCC(=O)Nc1cc(/N=N/c2ccc(C#N)c(C#N)c2)c2c(Cc3cccc(S(=O)(=O)Nc4ccc(N5CCOCC5)c(S(=O)(=O)Nc5cc(C)c(C)cc5O)c4)c3)cccc2c1O.Cc1cc(O)c(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccc(Cc4cccc5c(O)c(C)cc(/N=N/c6cc(C#N)c(C#N)cc6Cl)c45)c3)ccc2N2CCOCC2)cc1C.
What is the InChIKey of 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide?
The InChIKey is DRYHIYXGAMNOFR-UBFOBPAOSA-N. The full InChI is InChI=1S/C46H42N8O8S2.C44H38ClN7O7S2.C36H30N6O5S/c1-4-44(56)49-40-25-39(51-50-34-12-11-32(26-47)33(23-34)27-48)45-31(8-6-10-37(45)46(40)57)21-30-7-5-9-36(22-30)63(58,59)52-35-13-14-41(54-15-17-62-18-16-54)43(24-35)64(60,61)53-38-19-28(2)29(3)20-42(38)55;1-26-16-38(41(53)18-27(26)2)51-61(57,58)42-23-33(10-11-40(42)52-12-14-59-15-13-52)50-60(55,56)34-8-4-6-29(20-34)19-30-7-5-9-35-43(30)39(17-28(3)44(35)54)49-48-37-22-32(25-47)31(24-46)21-36(37)45;1-4-34(44)39-32-18-31(41-40-27-12-11-25(19-37)26(17-27)20-38)35-24(8-6-10-29(35)36(32)45)15-23-7-5-9-28(16-23)48(46,47)42-30-13-21(2)22(3)14-33(30)43/h5-14,19-20,22-25,52-53,55,57H,4,15-18,21H2,1-3H3,(H,49,56);4-11,16-18,20-23,50-51,53-54H,12-15,19H2,1-3H3;5-14,16-18,42-43,45H,4,15H2,1-3H3,(H,39,44)/b51-50+;49-48+;41-40+.
What are the key properties of 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide?
5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide has a molecular weight of 2434.18 g/mol, XLogP of 25.19, 33 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[[8-[(2-chloro-4,5-dicyanophenyl)diazenyl]-5-hydroxy-6-methylnaphthalen-1-yl]methyl]phenyl]sulfonylamino]-N-(2-hydroxy-4,5-dimethylphenyl)-2-morpholin-4-ylbenzenesulfonamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide;N-[4-[(3,4-dicyanophenyl)diazenyl]-1-hydroxy-5-[[3-[(2-hydroxy-4,5-dimethylphenyl)sulfamoyl]phenyl]methyl]naphthalen-2-yl]propanamide is sourced from PubChem (CID 136659536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).